Barbital 巴比妥

CAS 57-44-3 MFCD00036212

化学结构图

57-44-3
SMILES: CCC1(CC)C(=O)NC(=O)NC1=O

化学属性

Mol. FormulaC8H12N2O3
Mol. Weight184.22
Melting Point188-192 ºC

别名和识别编码

Chemical NameBarbital巴比妥
CAS Number57-44-3
Synonym ######## 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5-diethyl- 5,5'-Diethylbarbituric acid 5,5-Diethyl-2,4,6(1H,3H,5H)-pyrimidinetrione 5,5-Diethyl-2,4,6(1H,3H,5H)-pyrimidintrion 5,5-Diethylbarbituric acid 5,5-Diethylbarbitursäure 5,5-Diethylhexahydropyrimidine-2,4,6-trione 5,5-Diäthylbarbitursäure 5,5-diethyl-pyrimidine-2,4,6-trione 5,5-二乙基-2,4,6(1H,3H,5H)-嘧啶三酮 5,5-二乙基巴比妥酸 佛罗拿 巴比通 Barbital Barbital (form 2) Barbital (form 3) Barbitone Barbituric acid, 5,5-diethyl- DEBA Deba Diemal Diethyl-barbituric acid Diethylbarbitone Diethylmalonylurea Dormileno Dormonal Ethylbarbital Hypnogene Kyselina 5,5-diethy
MDL NumberMFCD00036212
PubChem Substance ID2294
Beilstein Registry Number0163999
EC Number200-331-2
Wiswesser Line NotationT6VMVMV FHJ F2 F2
Chemical Name Translation巴比妥
InChIInChI=1S/C8H12N2O3/c1-3-8(4-2)5(11)9-7(13)10-6(8)12/h3-4H2,1-2H3,(H2,9,10,11,12,13)
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分类

  • Analytical Standards, Analytical/Chromatography, Barbiturates, Chemical Structure, Chromatography, Drugs of Abuse, Forensic and Veterinary Standards
  • {uni_hamburg} no charge; nitrogen heterocycle; alicycle; 6RingOnly; 6ring; urea; amide; lactame; 1fragment
  • {SNA} Analytical Standards, Analytical/Chromatography, Barbiturates, Chemical Structure, Chromatography, Drugs of Abuse, Forensic and Veterinary Standards

产品应用

  • Prototype of the barbiturate hypnotics.

相关文献及参考

  • Kholod, Y., et al.: Environ. Sci. Technol., 43, 9208 (2009),
  • Yu, J., et al.: Pharm. Res., 27, 457 (2010),
  • Fourches, D., et al.: Chem. Res. Toxicol., 23, 171 (2010),
  • Merck 14 ,962
  • Beil. 24 ,IV,1901
  • Short: II/27B Title: Diamagnetic Susceptibility of Organic Compounds, Oils, Paraffins and Polyethylenes Author: Kumar, M.; Gupta, R. Editor: Gupta, Radha Raman Source: Landolt-Börnstein, New Series Volume: II/27B Year: 2008 Keyword: diamagnetic susceptibility; organic compounds ISBN: 978-3-540-44359-9 (print) ISBN: 978-3-540-45860-9 (online) Internet Resource: doi:10.1007/978-3-540-45860-9 RefComment: VIII, 503 p. With CD-ROM., Hardcover RefComment: Written for: Scientists and researchers in the fields of physics, chemistry, materials science RefComment: Supplement and Revised Editon to II/16 Abstract: The volume II/27 has been divided into three subvolumes according to the classes of compounds: Subvolume A: Diamagnetic susceptibility and magnetic anisotropy of inorganic and organometallic compounds; Subvolume B: Diamagnetic susceptibility of organic compounds, oils, paraffins and polyethylenes; Subvolume C: Diamagnetic susceptibility and magnetic anisotropy of organic compounds. The data presented in this volume are based on the literature survey of the chemical abstracts up to 2005. The calculated values of diamagnetic susceptibility of organic compounds in the present subvolume II/27B are presented along with their experimental values. They have been calculated with the use of structural parameters in structural formula by using different theoretical methods available in the literature.
  • Short: III/10a Title: Structure Data of Organic Crystals: C ... C 15 Author: Schudt-Weitz, G.; Strell, I. Editor: Hellwege, K.-H.; Hellwege, A.M. Source: Landolt-Börnstein, New Series Volume: III/10a Year: 1985 ISBN: 3-540-07834-7 ISBN: 978-3-540-07834-0 Internet Resource: DOI:10.1007/b19984 RefCo

安全信息

RTECSCQ3500000
WGK Germany3
GHS Symbol
Hazard statements
  • H302 Harmful if swallowed 吞食有害
Hazard Codes Xn
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Faceshields, Gloves
Signal word Warning
Precautionary statements
  • P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking. 远离热源/火花/明火/热的表面。——禁止吸烟。
  • P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P301+P310
  • P301+P312
  • P311 Call a POISON CENTER or doctor/physician. 呼叫解毒中心或医生/医师。
  • P330 Rinse mouth. 漱口
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Safety Statements
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
Risk Statements
  • R63 Possible risk of harm to the unborn child 可能危害未出生婴儿
  • R40 Limited evidence of a carcinogenic effect 有限证据表明其致癌作用
  • R20 Harmful by inhalation 吸入有害
Restrict {} 精神药品 精麻类化学品 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE

{hazard_c

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 275 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JPETAB Journal of Pharmacology and Experimental Therapeutics.  (Williams &
   Wilkins Co., 428 E. Preston St., Baltimore, MD 21202)  V.1-    1909/10-
   Volume(issue)/page/year: 44,325,1932

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 246 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Behavioral - convulsions or effect on seizure threshold
REFERENCE :
   PHARAT Pharmazie.  (VEB Verlag Volk und Gesundheit, Neue Gruenstr. 18,
   Berlin DDR-1020

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 450 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AEPPAE Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und
   Pharmakologie.  (Berlin, Ger.) V.110-253, 1925-66.  For publisher
   information, see NSAPCC.  Volume(issue)/page/year: 152,341,1930

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Bird - chicken
DOSE/DURATION           : 225 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   PHREA7 Physiological Reviews.  (American Physiological Soc., 9650 Rockville
   Pike, Bethesda, MD 20814)  V.1-    1921-  Volume(issue)/page/year:
   19,472,1939

{h

TYPE OF TEST            : Cytogenetic analysis
ROUTE OF EXPOSURE       : Oral
TEST SYSTEM             : Rodent - mouse
DOSE/DURATION           : 33 gm/kg
REFERENCE :
   IJMRAQ Indian Jou

TYPE OF TEST            : Cytogenetic analysis
TEST SYSTEM             : Rodent - hamster Lung
DOSE/DURATION           : 1 gm/L
REFERENCE :
   ATSUDG Archives of Toxicology, Supplement.  (Springer-Verlag New York, Inc.,
   Service Center, 44 Hartz Way, Secaucus, NJ 07094)  No.1-    1978-
   Volume(issue)/page/year: 4,41,1980

TYPE OF TEST            : Cytogenetic analysis
ROUTE OF EXPOSURE       : Intraperitoneal
TEST SYSTEM             : Rodent - mouse
DOSE/DURATION           : 33 gm/kg
REFERENCE :
   IJMRAQ Indian Journal of Medical Research.  (Indian Council of Medical
   Research, Ansari Nagar, New Delhi 110 029, India)  V.1-    1913-
   Volume(issue)/page/year: 61,1568,1973

TYPE OF TEST            : Cytogenetic analysis
TEST SYSTEM             : Rodent - hamster Fibroblast
DOSE/DURATION           : 2 gm/L/48H
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 48,337,1977

TYPE OF TEST            : Morphological transformation
ROUTE OF EXPOSURE       : Oral
TEST SYSTEM             : Rodent - rat
DOSE/DURATION           : 12600 mg/kg/6W
REFERENCE :
   CRNGDP Carcinogenesis (London). (Oxford Univ. Press, Pinkhill House,
   Southfield Road, Eynsham, Oxford OX8 1JJ, UK)  V.1-    1980-
   Volume(issue)/page/year: 9,387,1988

TYPE OF TEST            : Mutation test systems - not otherwise specified
ROUTE OF EXPOSURE       : Oral
TEST SYSTEM             : Rodent - mouse
DOSE/DURATION           : 100 mg/kg
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 343,157,1995

系列性分类

  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Reagents
  3. Analytical Reagents for General Use - Analytical Reagents
  4. Puriss p.a. - Analytical Reagents for General Use
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Chromatography - Analytical Standards
  4. Forensic and Veterinary Standards - Chromatography
  5. Drugs of Abuse - Forensic and Veterinary Standards
  6. Chemical Structure - Drugs of Abuse
  7. Barbiturates - Chemical Structure

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